REMARK Name = BDB032359 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.371 -1.294 -0.259 0.00 0.00 +0.048 A ATOM 2 C LIG 1 0.444 -0.701 -1.225 0.00 0.00 -0.009 A ATOM 3 C LIG 1 -0.146 0.258 -2.054 0.00 0.00 +0.010 A ATOM 4 C LIG 1 -1.496 0.569 -1.916 0.00 0.00 +0.044 A ATOM 5 C LIG 1 -2.254 -0.067 -0.939 0.00 0.00 +0.122 A ATOM 6 N LIG 1 -1.693 -0.993 -0.133 0.00 0.00 -0.237 NA ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 -3.623 0.232 -0.800 0.00 0.00 -0.306 N ATOM 8 C LIG 1 -3.857 1.668 -0.506 0.00 0.00 +0.182 C ATOM 9 C LIG 1 -5.258 1.966 -0.080 0.00 0.00 +0.151 A ATOM 10 N LIG 1 -5.841 3.124 0.130 0.00 0.00 -0.132 NA ATOM 11 N LIG 1 -7.138 2.875 0.522 0.00 0.00 -0.125 NA ATOM 12 C LIG 1 -7.325 1.566 0.546 0.00 0.00 +0.238 A ATOM 13 N LIG 1 -6.152 0.965 0.184 0.00 0.00 -0.305 N ATOM 14 C LIG 1 -5.840 -0.442 0.044 0.00 0.00 +0.144 C ATOM 15 C LIG 1 -4.327 -0.683 0.121 0.00 0.00 +0.128 C BRANCH 12 16 ATOM 16 C LIG 1 -8.553 0.814 0.892 0.00 0.00 +0.452 C ATOM 17 F LIG 1 -9.642 1.600 1.075 0.00 0.00 -0.163 F ATOM 18 F LIG 1 -8.873 -0.086 -0.077 0.00 0.00 -0.163 F ATOM 19 F LIG 1 -8.386 0.092 2.033 0.00 0.00 -0.163 F ENDBRANCH 12 16 ENDBRANCH 5 7 BRANCH 1 21 ATOM 20 C LIG 1 -0.007 -3.740 0.156 0.00 0.00 +0.010 C ATOM 21 C LIG 1 0.130 -2.332 0.714 0.00 0.00 +0.052 C ENDBRANCH 1 21 BRANCH 2 22 ATOM 22 C LIG 1 1.911 -1.009 -1.388 0.00 0.00 +0.138 C BRANCH 22 23 ATOM 23 N LIG 1 2.692 -0.011 -0.671 0.00 0.00 -0.339 N ATOM 24 H LIG 1 2.279 0.219 0.228 0.00 0.00 +0.146 HD BRANCH 23 25 ATOM 25 C LIG 1 4.093 -0.129 -0.568 0.00 0.00 +0.035 A ATOM 26 C LIG 1 4.820 0.762 0.285 0.00 0.00 +0.008 A ATOM 27 C LIG 1 6.229 0.649 0.388 0.00 0.00 +0.023 A ATOM 28 C LIG 1 6.907 1.519 1.272 0.00 0.00 +0.124 A ATOM 29 N LIG 1 6.301 2.478 1.994 0.00 0.00 -0.240 NA ATOM 30 C LIG 1 4.970 2.596 1.854 0.00 0.00 +0.113 A ATOM 31 C LIG 1 6.899 -0.305 -0.403 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.202 -1.127 -1.280 0.00 0.00 +0.003 A ATOM 33 C LIG 1 4.204 1.782 1.038 0.00 0.00 +0.030 A ATOM 34 C LIG 1 4.816 -1.029 -1.367 0.00 0.00 +0.023 A BRANCH 28 35 ATOM 35 N LIG 1 8.293 1.452 1.459 0.00 0.00 -0.343 N ATOM 36 H LIG 1 8.512 2.157 2.159 0.00 0.00 +0.144 HD ATOM 37 H LIG 1 8.562 0.527 1.772 0.00 0.00 +0.144 HD ENDBRANCH 28 35 ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 7